4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one

C12H10ClNO3 — CID 168689844

IUPAC4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one
SMILESO=C1OCc2c1cccc2N1CC(Cl)CC1=O
InChIInChI=1S/C12H10ClNO3/c13-7-4-11(15)14(5-7)10-3-1-2-8-9(10)6-17-12(8)16/h1-3,7H,4-6H2
InChIKeyIDEVOGYMCPAWMX-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.70
Rot. Bonds1

About 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one

4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one (PubChem CID 168689844) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one
PubChem CID168689844
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one
SMILESO=C1OCc2c1cccc2N1CC(Cl)CC1=O
InChIInChI=1S/C12H10ClNO3/c13-7-4-11(15)14(5-7)10-3-1-2-8-9(10)6-17-12(8)16/h1-3,7H,4-6H2
InChIKeyIDEVOGYMCPAWMX-UHFFFAOYSA-N
XLogP1.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide
CID 168698429
[5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683193
4-chloro-1-(3-oxo-1H-2-benzofuran-5-yl)pyrrolidin-2-one
CID 168689659
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
CID 168688338
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168689796
4-chloro-1-quinolin-5-ylpyrrolidin-2-one
CID 168689584
4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
CID 168687930
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one (CID 168689844) is 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one is O=C1OCc2c1cccc2N1CC(Cl)CC1=O.
What is the InChIKey of 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one?
The InChIKey is IDEVOGYMCPAWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c13-7-4-11(15)14(5-7)10-3-1-2-8-9(10)6-17-12(8)16/h1-3,7H,4-6H2.
What are the key properties of 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one?
4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one has a molecular weight of 251.67 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168689844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).